CID 55453

Glycine, n-(3-(1,1'-biphenyl)-4-yl-3-oxopropyl)-n-methyl-, ethyl ester, hydrochloride

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCOC(=O)CN(C)CCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H23NO3/c1-3-24-20(23)15-21(2)14-13-19(22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12H,3,13-15H2,1-2H3
InChIKey
ATSXRZDVUGWGQG-UHFFFAOYSA-N
Compound name
ethyl 2-[methyl-[3-oxo-3-(4-phenylphenyl)propyl]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1678 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.175076 179.6
[M+Na]+ 348.157018 183.5
[M-H]- 324.160524 186.7
[M+NH4]+ 343.201623 193.3
[M+K]+ 364.130958 181.2
[M+H-H2O]+ 308.165060 170.4
[M+HCOO]- 370.166001 202.4
[M+CH3COO]- 384.181651 214.9
[M+Na-2H]- 346.142466 180.8
[M]+ 325.16725142 183.2
[M]- 325.16834858 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.